| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Coatings and Surface Engineering for Environmental Protection II
|
| Presentation Title |
First-principles Search for Alloying Elements that Increase Corrosion Resistance of Mg with Transition Metal Impurities |
| Author(s) |
Mingfei Zhang, Louis Hector Jr., Yang Guo, Ming Liu, Liang Qi |
| On-Site Speaker (Planned) |
Liang Qi |
| Abstract Scope |
A significant challenge for applications of Mg alloys is their poor corrosion resistance, so Mg alloys designs with built-in corrosion resistance are of substantial interest. Corrosion can result from the coupling of anodic dissolution of Mg and cathodic reduction of water on impurities such as Iron (Fe)-rich second-phase particles. Experiments show that small quantities of Arsenic (As) or Germanium (Ge) can inhibit Mg corrosion, possibly slowing the hydrogen evolution reaction (HER) as the cathodic reaction on Fe surfaces. We designed thermodynamic and HER criteria, and used high-throughput computations to search a pool of 68 elements that can segregate from bulk Mg to surfaces of Fe particles and impede HER there. Our computational procedure predicts that only several p-block elements meet these criteria, and As and Ge are the best two alloying elements according to their ability to reduce the HER rate. These results are in qualitative accord with recent experiments. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |